N-[(4-chloranyl-1,3-benzothiazol-2-yl)carbamothioyl]hexanamide

Systemtic Name: N-[(4-chloranyl-1,3-benzothiazol-2-yl)carbamothioyl]hexanamide Openeye Name: N-[(4-chloro-1,3-benzothiazol-2-yl)carbamothioyl]hexanamide CAS Name: N-[[(4-chloro-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]hexanamide IUPAC Name: N-[(4-chloro-1,3-benzothiazol-2-yl)carbamothioyl]hexanamide Traditional Name: N-[(4-chloro-1,3-benzothiazol-2-yl)thiocarbamoyl]hexanamide Formula: C14H16ClN3OS2 MolecularWeight: 341.87934

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NC(=S)NC1=NC2=C(S1)C=CC=C2Cl

Isomeric SMILES

CCCCCC(=O)NC(=S)NC1=NC2=C(S1)C=CC=C2Cl

InChI

InChI=1S/C14H16ClN3OS2/c1-2-3-4-8-11(19)16-13(20)18-14-17-12-9(15)6-5-7-10(12)21-14/h5-7H,2-4,8H2,1H3,(H2,16,17,18,19,20)